1-(methylsulfanylmethyl)-3-phenylimidazo[4,5-b]pyridin-2-one

C14H13N3OS — CID 90672278

IUPAC1-(methylsulfanylmethyl)-3-phenylimidazo[4,5-b]pyridin-2-one
SMILESCSCn1c(=O)n(-c2ccccc2)c2ncccc21
InChIInChI=1S/C14H13N3OS/c1-19-10-16-12-8-5-9-15-13(12)17(14(16)18)11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyVWQQWFJKFYFQAA-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.51
Rot. Bonds3

About 1-(methylsulfanylmethyl)-3-phenylimidazo[4,5-b]pyridin-2-one

1-(methylsulfanylmethyl)-3-phenylimidazo[4,5-b]pyridin-2-one (PubChem CID 90672278) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(methylsulfanylmethyl)-3-phenylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(methylsulfanylmethyl)-3-phenylimidazo[4,5-b]pyridin-2-one
PubChem CID90672278
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name1-(methylsulfanylmethyl)-3-phenylimidazo[4,5-b]pyridin-2-one
SMILESCSCn1c(=O)n(-c2ccccc2)c2ncccc21
InChIInChI=1S/C14H13N3OS/c1-19-10-16-12-8-5-9-15-13(12)17(14(16)18)11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyVWQQWFJKFYFQAA-UHFFFAOYSA-N
XLogP2.51
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfanylmethyl)-3-phenylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(methylsulfanylmethyl)-3-phenylimidazo[4,5-b]pyridin-2-one (CID 90672278) is 1-(methylsulfanylmethyl)-3-phenylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(methylsulfanylmethyl)-3-phenylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(methylsulfanylmethyl)-3-phenylimidazo[4,5-b]pyridin-2-one is CSCn1c(=O)n(-c2ccccc2)c2ncccc21.
What is the InChIKey of 1-(methylsulfanylmethyl)-3-phenylimidazo[4,5-b]pyridin-2-one?
The InChIKey is VWQQWFJKFYFQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-19-10-16-12-8-5-9-15-13(12)17(14(16)18)11-6-3-2-4-7-11/h2-9H,10H2,1H3.
What are the key properties of 1-(methylsulfanylmethyl)-3-phenylimidazo[4,5-b]pyridin-2-one?
1-(methylsulfanylmethyl)-3-phenylimidazo[4,5-b]pyridin-2-one has a molecular weight of 271.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfanylmethyl)-3-phenylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 90672278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).